1890-0476 Screening compound: 3-chloro-N-(4-ethylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

1890-0476 Screening compound: 3-chloro-N-(4-ethylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
1890-0476 Screening compound: 3-chloro-N-(4-ethylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1890-0476
3-chloro-N-(4-ethylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1890-0476

Molecular Formula

C22H16ClF3N4O (C22 H16 ClF3 N4 O)

Compound Name

3-chloro-N-(4-ethylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

3-chloro-N-(4-ethylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

CCc(cc1)ccc1NC(c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl)=O

InChI

InChI=1S/C22H16ClF3N4O/c1-2-13-8-10-15(11-9-13)27-21(31)19-18(23)20-28-16(14-6-4-3-5-7-14)12-17(22(24,25)26)30(20)29-19/h3-12H,2H2,1H3,(H,27,31)

InChI Key

XCLSFALMRDJHPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00682619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.410

Distribution Coefficient, logD

6.410

Water Solubility, LogSw

-6.39

Polar Surface Area

42.806

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 1890-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1890-0476?
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What is the minimum amount of 1890-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1890-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1890-0476
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1890-0476 available by request